AG000P8W

1196-07-2 | 1H-Pyrrole-2-carboxylic acid, 5-bromo-1-methyl-, methyl ester

AG000P8W

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CAS Number	1196-07-2
Catalog Number	AG000P8W(AGN-PC-0NLBH2)
Chemical Name	1H-Pyrrole-2-carboxylic acid, 5-bromo-1-methyl-, methyl ester
IUPAC Name	methyl 5-bromo-1-methylpyrrole-2-carboxylate
InChI	InChI=1S/C7H8BrNO2/c1-9-5(7(10)11-2)3-4-6(9)8/h3-4H,1-2H3
InChI Key	NMJMIZMIPRJDDV-UHFFFAOYSA-N
MDL Number	MFCD19703858
Molecular Formula	C7H8BrNO2
Molecular Weight	218.0479
SMILES	O=C(C1=CC=C(Br)N1C)OC
Synonyms	Methyl 5-bromo-1-methyl-1H-pyrrole-2-carboxylate, 1196-07-2, methyl 5-bromo-1-methylpyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, 5-bromo-1-methyl-, methyl ester, SCHEMBL2722125, DTXSID70625143, NMJMIZMIPRJDDV-UHFFFAOYSA-N, 3365AA, MFCD19703858, ZINC91301501, FCH1361978, AK-46991, AS-43334, SY031886, AJ-129695, AX8242666, MFCD19703858 (95%), Methyl 5-bromo-1-methyl-1H-pyrrol-2-carboxylate, methyl-5-bromo-1-methyl-1H-pyrrole-2-carboxylate, 5-bromo-1-methyl-1H-pyrrole-2-carboxylic acid methyl ester, C7H8BrNO2, Methyl5-bromo-1-methyl-1H-pyrrole-2-carboxylate,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.974g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.05g/mol
Monoisotopic Mass	216.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	31.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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